F0916-5068
TL;DR: F0916-5068 (CAS 451464-91-8) is a chemical compound with molecular formula C29H29ClN4O3S and molecular weight 548.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-4-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
Also Known As: F0916-5068, N-[(3-chlorophenyl)methyl]-4-[2-({[(2-ethylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]butanamide, N-[(3-chlorophenyl)methyl]-4-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide, N-(3-chlorobenzyl)-4-(2-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)butanamide
| Molecular Formula | C29H29ClN4O3S |
|---|---|
| Molecular Weight | 548.16 g/mol |
| LogP | 5.4397 |
| Topological Polar Surface Area | 93.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 548.1649 |
| Heavy Atoms | 38 |
| Complexity | 1504.9363 |
Chemical Identifiers
| CAS Number | 451464-91-8 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl |
Product Overview
F0916-5068 (CAS 451464-91-8), with molecular formula C29H29ClN4O3S and molecular weight 548.16 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide.
Chemical Property Profile of F0916-5068
Property Insights of F0916-5068
The XLogP value of 5.4397 indicates that F0916-5068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0916-5068. Following Lipinski's Rule of Five, F0916-5068 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0916-5068?
The CAS number of F0916-5068 is 451464-91-8.
What is the molecular formula of F0916-5068?
The molecular formula of F0916-5068 is C29H29ClN4O3S.
What is the molecular weight of F0916-5068?
The molecular weight of F0916-5068 is 548.16 g/mol.
Where can I buy F0916-5068?
You can request a quote for F0916-5068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0916-5068?
Yes, KEHONG BIO provides custom synthesis services for F0916-5068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.